propyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate

C14H25NO2 — CID 58895173

IUPACpropyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate
SMILESCCCOC(=O)NC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C14H25NO2/c1-5-11-17-14(16)15-10-9-13(4)8-6-7-12(2)3/h7,9H,5-6,8,10-11H2,1-4H3,(H,15,16)/b13-9+
InChIKeyFBKSTJVYAZLPOB-UKTHLTGXSA-N
MW239.36 g/mol
LogP3.82
Rot. Bonds7

About propyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate

propyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate (PubChem CID 58895173) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is propyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate.

Molecular Properties

Compound Namepropyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate
PubChem CID58895173
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Namepropyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate
SMILESCCCOC(=O)NC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C14H25NO2/c1-5-11-17-14(16)15-10-9-13(4)8-6-7-12(2)3/h7,9H,5-6,8,10-11H2,1-4H3,(H,15,16)/b13-9+
InChIKeyFBKSTJVYAZLPOB-UKTHLTGXSA-N
XLogP3.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate?
The IUPAC name of propyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate (CID 58895173) is propyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate.
What is the SMILES notation for propyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate?
The canonical SMILES for propyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate is CCCOC(=O)NC/C=C(\C)CCC=C(C)C.
What is the InChIKey of propyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate?
The InChIKey is FBKSTJVYAZLPOB-UKTHLTGXSA-N. The full InChI is InChI=1S/C14H25NO2/c1-5-11-17-14(16)15-10-9-13(4)8-6-7-12(2)3/h7,9H,5-6,8,10-11H2,1-4H3,(H,15,16)/b13-9+.
What are the key properties of propyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate?
propyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate has a molecular weight of 239.36 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate is sourced from PubChem (CID 58895173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).